2-(3,5-dimethoxyphenoxy)-5-sulfanyl-pentanoic acid

Systemtic Name: 2-(3,5-dimethoxyphenoxy)-5-sulfanyl-pentanoic acid Openeye Name: 2-(3,5-dimethoxyphenoxy)-5-sulfanyl-pentanoic acid CAS Name: 2-(3,5-dimethoxyphenoxy)-5-mercaptopentanoic acid IUPAC Name: 2-(3,5-dimethoxyphenoxy)-5-sulfanylpentanoic acid Traditional Name: 2-(3,5-dimethoxyphenoxy)-5-mercapto-valeric acid Formula: C13H18O5S MolecularWeight: 286.34402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)OC(CCCS)C(=O)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)OC(CCCS)C(=O)O)OC

InChI

InChI=1S/C13H18O5S/c1-16-9-6-10(17-2)8-11(7-9)18-12(13(14)15)4-3-5-19/h6-8,12,19H,3-5H2,1-2H3,(H,14,15)